General Information of the Compound
| Compound ID |
CP0470792
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| Compound Name |
2-[[10-hydroxy-12-oxo-3-[4-(trifluoromethyl)phenyl]-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C21H15F3N2O5S
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| Molecular Weight |
464.421
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| Canonical SMILES |
OC(=O)CNC(=O)c1c(O)c2cccc3SC(Cn(c23)c1=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F3N2O5S/c22-21(23,24)11-6-4-10(5-7-11)14-9-26-17-12(2-1-3-13(17)32-14)18(29)16(20(26)31)19(30)25-8-15(27)28/h1-7,14,29H,8-9H2,(H,25,30)(H,27,28)
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| InChIKey |
GOQNIKUGFBMLNU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02612, Egl nine homolog 1
Protein ID: PT01988, Prolyl hydroxylase EGLN2
Protein ID: PT02885, Prolyl hydroxylase EGLN3